Reaction of laser-ablated Fe atoms with oxygen
molecules in a condensing argon stream produced FeO,
FeO2, FeO3, FeO4, Fe2O,
Fe2O2, and Fe2O4
molecules, which are identified from oxygen isotopic shifts
and
multiplets in matrix infrared spectra. The Fe + O2
reaction gives symmetrical bent, symmetrical cyclic, and
asymmetrical bent FeO2 isomeric products with triplet,
triplet, and quartet isotopic absorptions, respectively,
using statistically mixed 16,18O2 as the
reagent. The major reaction product symmetrical bent OFeO
iron
dioxide molecule (150 ± 10°) is characterized by stretching
fundamentals at 945.8 and 797.1 cm-1, and
the
asymmetric bent FeOO form exhibits a 1204.5 cm-1
absorption. The cyclic isomer Fe(O2)
produced
spontaneously during annealing in solid argon absorbs at 956.0
cm-1. Oxygen and iron isotopic
absorptions
show that FeOFe is a symmetrical bent (140 ± 10°) molecule.
Rhombic Fe2O2 absorbs at 517.4
cm-1.
Evidence is presented for isomers of FeO3,
FeO4, and Fe2O4. Density
functional theory was used to calculate
energies, structures, and frequencies for product molecules to support
their identification.
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